1-ethyl-6-propylcyclohexa-1,3-diene

C11H18 — CID 91233524

IUPAC1-ethyl-6-propylcyclohexa-1,3-diene
SMILESCCCC1CC=CC=C1CC
InChIInChI=1S/C11H18/c1-3-7-11-9-6-5-8-10(11)4-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyVJUBKBUISGTBJX-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds3

About 1-ethyl-6-propylcyclohexa-1,3-diene

1-ethyl-6-propylcyclohexa-1,3-diene (PubChem CID 91233524) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-ethyl-6-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-6-propylcyclohexa-1,3-diene
PubChem CID91233524
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-ethyl-6-propylcyclohexa-1,3-diene
SMILESCCCC1CC=CC=C1CC
InChIInChI=1S/C11H18/c1-3-7-11-9-6-5-8-10(11)4-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyVJUBKBUISGTBJX-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-propylcyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-6-propylcyclohexa-1,3-diene (CID 91233524) is 1-ethyl-6-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-6-propylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-6-propylcyclohexa-1,3-diene is CCCC1CC=CC=C1CC.
What is the InChIKey of 1-ethyl-6-propylcyclohexa-1,3-diene?
The InChIKey is VJUBKBUISGTBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-7-11-9-6-5-8-10(11)4-2/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 1-ethyl-6-propylcyclohexa-1,3-diene?
1-ethyl-6-propylcyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-propylcyclohexa-1,3-diene is sourced from PubChem (CID 91233524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).